| SpectraBase Compound ID | KqcLxhjACJU |
|---|---|
| InChI | InChI=1S/C22H27NO6/c1-11-16-13-10-15-21(7-4-5-9-24)14(6-8-23(13)21)22(16,28-15)29-18(11)19-17(26-3)12(2)20(25)27-19/h4,7,11,13-16,24H,5-6,8-10H2,1-3H3/b7-4+,19-18-/t11-,13+,14+,15+,16+,21-,22+/m0/s1 |
| InChIKey | JCGJDQPGZSCGOQ-IYNROUAASA-N |
| Mol Weight | 401.46 g/mol |
| Molecular Formula | C22H27NO6 |
| Exact Mass | 401.183838 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6DJilpmLnoQ |
|---|---|
| Name | 1',2'-DIDEHYDRO-4'-HYDROXY-STEMOFOLINE |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H27NO6 |
| InChI | InChI=1S/C22H27NO6/c1-11-16-13-10-15-21(7-4-5-9-24)14(6-8-23(13)21)22(16,28-15)29-18(11)19-17(26-3)12(2)20(25)27-19/h4,7,11,13-16,24H,5-6,8-10H2,1-3H3/b7-4+,19-18-/t11-,13+,14+,15+,16+,21-,22+/m0/s1 |
| InChIKey | JCGJDQPGZSCGOQ-IYNROUAASA-N |
| Literature Reference Author | K.SASTRARUJI,T.SASTRARUJI,S.G.PYNE,A.T.UNG,A.JATISATIENR,W.L IE |
| Literature Reference Citation | J.NAT.PROD.,73,935(2010) |
| Literature Reference DOI | 10.1021/np100137h |
| Molecular Weight | 401.459 g/mol |
| Sample ID | 35569 |
| Solvent | CDCl3 |